3-chloro-1-(4-chlorophenyl)-4-(2,4-dimethylanilino)pyrrole-2,5-dione

C18H14Cl2N2O2 — CID 1185285

IUPAC3-chloro-1-(4-chlorophenyl)-4-(2,4-dimethylanilino)pyrrole-2,5-dione
SMILESCc1ccc(NC2=C(Cl)C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)c1
InChIInChI=1S/C18H14Cl2N2O2/c1-10-3-8-14(11(2)9-10)21-16-15(20)17(23)22(18(16)24)13-6-4-12(19)5-7-13/h3-9,21H,1-2H3
InChIKeyXBJDZDHCQQLZKK-UHFFFAOYSA-N
MW361.23 g/mol
LogP4.39
Rot. Bonds3

About 3-chloro-1-(4-chlorophenyl)-4-(2,4-dimethylanilino)pyrrole-2,5-dione

3-chloro-1-(4-chlorophenyl)-4-(2,4-dimethylanilino)pyrrole-2,5-dione (PubChem CID 1185285) has the molecular formula C18H14Cl2N2O2 and a molecular weight of 361.23 g/mol. Its IUPAC name is 3-chloro-1-(4-chlorophenyl)-4-(2,4-dimethylanilino)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-1-(4-chlorophenyl)-4-(2,4-dimethylanilino)pyrrole-2,5-dione
PubChem CID1185285
Molecular FormulaC18H14Cl2N2O2
Molecular Weight361.23 g/mol
Exact Mass360.04
IUPAC Name3-chloro-1-(4-chlorophenyl)-4-(2,4-dimethylanilino)pyrrole-2,5-dione
SMILESCc1ccc(NC2=C(Cl)C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)c1
InChIInChI=1S/C18H14Cl2N2O2/c1-10-3-8-14(11(2)9-10)21-16-15(20)17(23)22(18(16)24)13-6-4-12(19)5-7-13/h3-9,21H,1-2H3
InChIKeyXBJDZDHCQQLZKK-UHFFFAOYSA-N
XLogP4.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-1-(4-chlorophenyl)-4-(4-iodo-2-methylanilino)pyrrole-2,5-dione
CID 1192250
3-chloro-1-(2-chlorophenyl)-4-(2,4-dimethylanilino)pyrrole-2,5-dione
CID 1185248
3-chloro-4-(3-chloro-4-methylanilino)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 1033955
3-chloro-4-(2,4-dimethoxyanilino)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 1033956
3-(5-chloro-2-methylanilino)-4-(4-chlorophenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110599982
1-benzyl-3-chloro-4-(2,4-dimethylanilino)pyrrole-2,5-dione
CID 720409
3-chloro-1-(2,4-dimethylphenyl)-4-(4-methylanilino)pyrrole-2,5-dione
CID 710569
3-(4-chlorophenyl)-4-(2,5-dimethylanilino)-1-(4-ethylphenyl)pyrrole-2,5-dione
CID 110599808
3-chloro-1-(4-chlorophenyl)-4-[2-methyl-5-(morpholine-4-carbonyl)anilino]pyrrole-2,5-dione
CID 1407609
3-[[4-chloro-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-4-methyl-N-(2-methylphenyl)benzamide
CID 1407541
N-(5-chloro-2-methoxyphenyl)-3-[[4-chloro-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-4-methylbenzamide
CID 1407525
3-chloro-1-(3-chloro-4-methylphenyl)-4-(2,3-dimethylanilino)pyrrole-2,5-dione
CID 1181998

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(4-chlorophenyl)-4-(2,4-dimethylanilino)pyrrole-2,5-dione?
The IUPAC name of 3-chloro-1-(4-chlorophenyl)-4-(2,4-dimethylanilino)pyrrole-2,5-dione (CID 1185285) is 3-chloro-1-(4-chlorophenyl)-4-(2,4-dimethylanilino)pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-1-(4-chlorophenyl)-4-(2,4-dimethylanilino)pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-1-(4-chlorophenyl)-4-(2,4-dimethylanilino)pyrrole-2,5-dione is Cc1ccc(NC2=C(Cl)C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)c1.
What is the InChIKey of 3-chloro-1-(4-chlorophenyl)-4-(2,4-dimethylanilino)pyrrole-2,5-dione?
The InChIKey is XBJDZDHCQQLZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2/c1-10-3-8-14(11(2)9-10)21-16-15(20)17(23)22(18(16)24)13-6-4-12(19)5-7-13/h3-9,21H,1-2H3.
What are the key properties of 3-chloro-1-(4-chlorophenyl)-4-(2,4-dimethylanilino)pyrrole-2,5-dione?
3-chloro-1-(4-chlorophenyl)-4-(2,4-dimethylanilino)pyrrole-2,5-dione has a molecular weight of 361.23 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(4-chlorophenyl)-4-(2,4-dimethylanilino)pyrrole-2,5-dione is sourced from PubChem (CID 1185285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).